1-[1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-4-piperidyl]-N-isobutyl-triazole-4-carboxamide CAS Name: 1-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidinyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: 1-[1-(3-ethoxy-2-hydroxy-benzyl)-4-piperidyl]-N-isobutyl-triazole-4-carboxamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C

InChI

InChI=1S/C21H31N5O3/c1-4-29-19-7-5-6-16(20(19)27)13-25-10-8-17(9-11-25)26-14-18(23-24-26)21(28)22-12-15(2)3/h5-7,14-15,17,27H,4,8-13H2,1-3H3,(H,22,28)